Chemical ID: 5914095

Cc1c(sc(n1)NC(=O)CN(CC2CCCO2)C(=O)c3ccc(cc3Cl)Cl)C
Chemical ID:
5914095
Name [?]:
2,4-dichloro-N-[(4,5-dimethylthiazol-2-yl)carbamoylmethyl]-N-(tetrahydrofuran-2-ylmethyl)benzamide
SMILES [?]:
Cc1c(sc(n1)NC(=O)CN(CC2CCCO2)C(=O)c3ccc(cc3Cl)Cl)C
InChi [?]:
InChI=1/C19H21Cl2N3O3S/c1-11-12(2)28-19(22-11)23-17(25)10-24(9-14-4-3-7-27-14)18(26)15-6-5-13(20)8-16(15)21/h5-6,8,14H,3-4,7,9-10H2,1-2H3,(H,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,28,15,14,22,21,16,24,12,10,2,3,23,13,20,25,8,18,5,27,26,6,7,11,9,19,17,4/rA:28cCCCSCNNCOCNCCCCCOCOCCCCCCClClC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s15;s13s16;s11;d18;s18;s20;d21;s22;d23;d20s24;s25;s23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21Cl2N3O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:9.7285
Area:643.783
Solvation:-6.36607
Coulombic:-48.702
Bond Count [?]
All:30
Single:23
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:442.36
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.88
LogP (Chemaxon):2.97

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Descriptor Annotations

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