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Chemical ID: 6009612
Chemical ID:
6009612
Name [?]:
3-chloro-N-[(4,5-dimethylthiazol-2-yl)carbamoylmethyl]-N-(3-methoxypropyl)benzamide
SMILES [?]:
Cc1c(sc(n1)NC(=O)CN(CCCOC)C(=O)c2cccc(c2)Cl)C
InChi [?]:
InChI=1/C18H22ClN3O3S/c1-12-13(2)26-18(20-12)21-16(23)11-22(8-5-9-25-3)17(24)14-6-4-7-15(19)10-14/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,26,16,21,13,20,22,12,14,24,10,2,3,19,23,8,17,5,25,6,7,11,9,18,15,4/rA:26nCCCSCNNCOCNCCCOCCOCCCCCCClC/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;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22ClN3O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2284 |
Area: | 628.443 |
Solvation: | -5.48267 |
Coulombic: | -50.1664 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 395.904 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.07 |
LogP (Chemaxon): | 2.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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