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Chemical ID: 6009590
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
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Experimental Annotations
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Descriptor Annotations
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