Chemical ID: 4161610

CC1CCc2c(sc3c2c(=O)n(nn3)CC(=O)Nc4ccccc4Cl)C1
Chemical ID:
4161610
Name [?]:
None
SMILES [?]:
CC1CCc2c(sc3c2c(=O)n(nn3)CC(=O)Nc4ccccc4Cl)C1
InChi [?]:
InChI=1/C18H17ClN4O2S/c1-10-6-7-11-14(8-10)26-17-16(11)18(25)23(22-21-17)9-15(24)20-13-5-3-2-4-12(13)19/h2-5,10H,6-9H2,1H3,(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,22,21,23,20,3,4,26,15,2,5,24,19,6,16,9,8,10,25,18,14,13,12,17,11,7/rA:26cCCCCCCSCCCONNNCCONCCCCCCClC/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;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17ClN4O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:11.5208
Area:573.773
Solvation:-2.82355
Coulombic:-37.0267
Bond Count [?]
All:29
Single:21
Double:8
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:388.872
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.45
LogP (Chemaxon):2.75

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