Chemical ID: 4161625

CC1CCc2c(sc3c2c(=O)n(nn3)CC(=O)Nc4cc(ccc4Cl)Cl)C1
Chemical ID:
4161625
Name [?]:
None
SMILES [?]:
CC1CCc2c(sc3c2c(=O)n(nn3)CC(=O)Nc4cc(ccc4Cl)Cl)C1
InChi [?]:
InChI=1/C18H16Cl2N4O2S/c1-9-2-4-11-14(6-9)27-17-16(11)18(26)24(23-22-17)8-15(25)21-13-7-10(19)3-5-12(13)20/h3,5,7,9H,2,4,6,8H2,1H3,(H,21,25)
InChi Info:
AuxInfo=1/1/N:1,3,22,4,23,27,20,15,2,21,5,24,19,6,16,9,8,10,26,25,18,14,13,12,17,11,7/rA:27cCCCCCCSCCCONNNCCONCCCCCCClClC/rB:s1;s2;s3;s4;d5;s6;s7;s5d8;s9;d10;s10;s12;s8d13;s12;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;s21;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16Cl2N4O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:12.3546
Area:608.646
Solvation:-2.86152
Coulombic:-36.8334
Bond Count [?]
All:30
Single:22
Double:8
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:423.317
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.07
LogP (Chemaxon):3.27

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