Chemical ID: 4250534

Cc1cc2c(=O)[nH]c(nc2s1)Cc3ccccc3
Chemical ID:
4250534
Name [?]:
4-benzyl-8-methyl-7-thia-3,5-diazabicyclo[4.3.0]nona-4,8,10-trien-2-one
SMILES [?]:
Cc1cc2c(=O)[nH]c(nc2s1)Cc3ccccc3
InChi [?]:
InChI=1/C14H12N2OS/c1-9-7-11-13(17)15-12(16-14(11)18-9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,14,18,3,12,2,13,4,8,5,10,7,9,6,11/E:(3,4)(5,6)/rA:18nCCCCCONCNCSCCCCCCC/rB:s1;d2;s3;s4;d5;s5;s7;d8;d4s9;s2s10;s8;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12N2OS
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.95196
Area:437.903
Solvation:-1.9956
Coulombic:-27.7313
Bond Count [?]
All:20
Single:13
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:256.324
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.66
LogP (Chemaxon):2.84

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Descriptor Annotations

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