Chemical ID: 6009590

Cc1c(sc(n1)NC(=O)CN(CCCOC)C(=O)c2ccc(c(c2)Cl)Cl)C
Chemical ID:
6009590
Name [?]:
3,4-dichloro-N-[(4,5-dimethylthiazol-2-yl)carbamoylmethyl]-N-(3-methoxypropyl)benzamide
SMILES [?]:
Cc1c(sc(n1)NC(=O)CN(CCCOC)C(=O)c2ccc(c(c2)Cl)Cl)C
InChi [?]:
InChI=1/C18H21Cl2N3O3S/c1-11-12(2)27-18(21-11)22-16(24)10-23(7-4-8-26-3)17(25)13-5-6-14(19)15(20)9-13/h5-6,9H,4,7-8,10H2,1-3H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,27,16,13,20,21,12,14,24,10,2,3,19,22,23,8,17,5,26,25,6,7,11,9,18,15,4/rA:27nCCCSCNNCOCNCCCOCCOCCCCCCClClC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s15;s11;d17;s17;s19;d20;s21;d22;d19s23;s23;s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21Cl2N3O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.8499
Area:661.921
Solvation:-5.69809
Coulombic:-49.8826
Bond Count [?]
All:28
Single:21
Double:7
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:430.349
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.69
LogP (Chemaxon):2.62

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue