Chemical ID: 6883988

Cc1ccc(cc1C)c2c(sc3c2c(=O)n(cn3)CCCc4ccccc4)C
Chemical ID:
6883988
Name [?]:
7-(3,4-dimethylphenyl)-8-methyl-4-(3-phenylpropyl)-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-5-one
SMILES [?]:
Cc1ccc(cc1C)c2c(sc3c2c(=O)n(cn3)CCCc4ccccc4)C
InChi [?]:
InChI=1/C24H24N2OS/c1-16-11-12-20(14-17(16)2)21-18(3)28-23-22(21)24(27)26(15-25-23)13-7-10-19-8-5-4-6-9-19/h4-6,8-9,11-12,14-15H,7,10,13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,28,25,24,26,20,23,27,21,3,4,19,6,17,2,7,10,22,5,9,13,12,14,18,16,15,11/E:(5,6)(8,9)/rA:28nCCCCCCCCCCSCCCONCNCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s10;s11;s9d12;s13;d14;s14;s16;s12d17;s16;s19;s20;s21;s22;d23;s24;d25;d22s26;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H24N2OS
All Atoms:52
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:13.1612
Area:618.239
Solvation:-2.29478
Coulombic:-25.0924
Bond Count [?]
All:31
Single:21
Double:10
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:388.526
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.0
LogP (Chemaxon):6.0

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Descriptor Annotations

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