2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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![2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/8646e622e8724662ab8b1fe897f6a05a.png "2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one")
2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
structure -
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CAS No:
745808-68-8
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Formula:
C21H21N5O2S3
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Chemical Name:
2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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Synonyms:
ZINC2647150;AKOS033734030;MCULE-3096431965;Z20164464;5-[({5-[(2-ethoxyphenyl)amino]-1,3,4-thiadiazol-2-yl}sulfanyl)methyl]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one;745808-68-8
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CAS No:
2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Basic Attributes
471.6 g/mol
471.08573845 g/mol
Computed Properties
Molecular Weight:471.6
XLogP3:5.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:471.08573845
Monoisotopic Mass:471.08573845
Topological Polar Surface Area:170
Heavy Atom Count:31
Complexity:683
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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