Chemical ID: 7308236

Cc1c(sc2c1c(=O)n(cn2)CC(=O)Nc3ccc(cc3)C(C)C)C
Chemical ID:
7308236
Name [?]:
2-(7,8-dimethyl-5-oxo-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl)-N-(4-isopropylphenyl)-acetamide
SMILES [?]:
Cc1c(sc2c1c(=O)n(cn2)CC(=O)Nc3ccc(cc3)C(C)C)C
InChi [?]:
InChI=1/C19H21N3O2S/c1-11(2)14-5-7-15(8-6-14)21-16(23)9-22-10-20-18-17(19(22)24)12(3)13(4)25-18/h5-8,10-11H,9H2,1-4H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:23,24,1,25,18,20,17,21,12,10,22,2,3,19,16,13,6,5,7,11,15,9,14,8,4/E:(1,2)(5,6)(7,8)/rA:25nCCCSCCCONCNCCONCCCCCCCCCC/rB:s1;d2;s3;s4;s2d5;s6;d7;s7;s9;s5d10;s9;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;s22;s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21N3O2S
All Atoms:46
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.7475
Area:566.437
Solvation:-3.41347
Coulombic:-42.7166
Bond Count [?]
All:27
Single:19
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:355.455
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.33
LogP (Chemaxon):3.7

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Descriptor Annotations

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