Chemical ID: 3855637

COC(=O)CN1c2c(c3c(s2)CCCC3)C(=NCC1=O)c4ccccc4Cl
Chemical ID:
3855637
Name [?]:
None
SMILES [?]:
COC(=O)CN1c2c(c3c(s2)CCCC3)C(=NCC1=O)c4ccccc4Cl
InChi [?]:
InChI=1/C20H19ClN2O3S/c1-26-17(25)11-23-16(24)10-22-19(12-6-2-4-8-14(12)21)18-13-7-3-5-9-15(13)27-20(18)23/h2,4,6,8H,3,5,7,9-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,14,24,13,22,15,25,12,18,5,21,9,26,10,19,3,8,16,7,27,17,6,20,4,2,11/rA:27nCOCOCNCCCCSCCCCCNCCOCCCCCCCl/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;s7s10;s10;s12;s13;s9s14;s8;d16;s17;s6s18;d19;s16;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19ClN2O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.3541
Area:552.044
Solvation:-3.44703
Coulombic:-42.6588
Bond Count [?]
All:30
Single:22
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:402.895
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.34
LogP (Chemaxon):3.0

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Descriptor Annotations

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