Chemical ID: 6007201

CCc1ccc(cc1)C(=O)N(CCCOCC)CC(=O)Nc2nc(cs2)C
Chemical ID:
6007201
Name [?]:
N-(3-ethoxypropyl)-4-ethyl-N-[(4-methylthiazol-2-yl)carbamoylmethyl]benzamide
SMILES [?]:
CCc1ccc(cc1)C(=O)N(CCCOCC)CC(=O)Nc2nc(cs2)C
InChi [?]:
InChI=1/C20H27N3O3S/c1-4-16-7-9-17(10-8-16)19(25)23(11-6-12-26-5-2)13-18(24)22-20-21-15(3)14-27-20/h7-10,14H,4-6,11-13H2,1-3H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,17,27,2,16,13,4,8,5,7,12,14,18,25,24,3,6,19,9,22,23,21,11,20,10,15,26/E:(7,8)(9,10)/rA:27nCCCCCCCCCONCCCOCCCCONCNCCSC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;s15;s16;s11;s18;d19;s19;s21;d22;s23;d24;s22s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H27N3O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.9518
Area:645.742
Solvation:-5.19173
Coulombic:-51.0061
Bond Count [?]
All:28
Single:21
Double:7
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:389.513
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.92
LogP (Chemaxon):2.8

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Descriptor Annotations

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