Chemical ID: 6822113

Cc1c(sc(n1)N2C(c3c(=O)c4ccccc4oc3C2=O)c5ccc(cc5)Cl)C(=O)C
Chemical ID:
6822113
Name [?]:
None
SMILES [?]:
Cc1c(sc(n1)N2C(c3c(=O)c4ccccc4oc3C2=O)c5ccc(cc5)Cl)C(=O)C
InChi [?]:
InChI=1/C23H15ClN2O4S/c1-11-21(12(2)27)31-23(25-11)26-18(13-7-9-14(24)10-8-13)17-19(28)15-5-3-4-6-16(15)30-20(17)22(26)29/h3-10,18H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,31,14,15,13,16,23,27,24,26,2,29,22,25,12,17,9,8,10,19,3,20,5,28,6,7,30,11,21,18,4/E:(7,8)(9,10)/rA:31cCCCSCNNCCCOCCCCCCOCCOCCCCCCClCOC/rB:s1;d2;s3;s4;s2d5;s5;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s7s19;d20;s8;s22;d23;s24;d25;d22s26;s25;s3;d29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H15ClN2O4S
All Atoms:46
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.6785
Area:628.996
Solvation:-4.04636
Coulombic:-48.475
Bond Count [?]
All:35
Single:23
Double:12
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:450.895
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.16
LogP (Chemaxon):3.34

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Descriptor Annotations

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