Chemical ID: 4861134

c1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2c5nccs5
Chemical ID:
4861134
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2c5nccs5
InChi [?]:
InChI=1/C20H12N2O3S/c23-17-13-8-4-5-9-14(13)25-18-15(17)16(12-6-2-1-3-7-12)22(19(18)24)20-21-10-11-26-20/h1-11,16H
InChi Info:
AuxInfo=1/0/N:1,2,6,13,14,3,5,12,15,24,25,4,11,16,8,7,9,18,19,22,23,21,10,20,17,26/E:(2,3)(6,7)/rA:26cCCCCCCCCCOCCCCCCOCCONCNCCS/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;d8s17;s18;d19;s7s19;s21;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H12N2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:9.51409
Area:521.238
Solvation:-3.51686
Coulombic:-41.1646
Bond Count [?]
All:30
Single:19
Double:11
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:360.387
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.56
LogP (Chemaxon):3.6

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Descriptor Annotations

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