Chemical ID: 4154663

Cc1c(sc2c1c(=O)n(cn2)Cc3ccccc3)C
Chemical ID:
4154663
Name [?]:
4-benzyl-7,8-dimethyl-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-5-one
SMILES [?]:
Cc1c(sc2c1c(=O)n(cn2)Cc3ccccc3)C
InChi [?]:
InChI=1/C15H14N2OS/c1-10-11(2)19-14-13(10)15(18)17(9-16-14)8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,16,15,17,14,18,12,10,2,3,13,6,5,7,11,9,8,4/E:(4,5)(6,7)/rA:19nCCCSCCCONCNCCCCCCCC/rB:s1;d2;s3;s4;s2d5;s6;d7;s7;s9;s5d10;s9;s12;s13;d14;s15;d16;d13s17;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14N2OS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.26379
Area:441.227
Solvation:-1.76688
Coulombic:-23.9222
Bond Count [?]
All:21
Single:14
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:270.351
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.89
LogP (Chemaxon):3.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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