Chemical ID: 6023023

CN(C)C(=O)N(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc3cccs3)C4CC4
Chemical ID:
6023023
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-2-(cyclopropyl-(dimethylcarbamoyl)amino)-N-(2-thienylmethyl)acetamide
SMILES [?]:
CN(C)C(=O)N(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc3cccs3)C4CC4
InChi [?]:
InChI=1/C21H25N3O4S/c1-22(2)21(26)24(16-6-7-16)13-20(25)23(12-17-4-3-9-29-17)11-15-5-8-18-19(10-15)28-14-27-18/h3-5,8-10,16H,6-7,11-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,24,23,13,28,29,14,25,17,11,21,7,19,12,27,22,15,16,8,4,2,10,6,9,5,20,18,26/E:(1,2)(6,7)/rA:29nCNCCONCCONCCCCCCCOCOCCCCCSCCC/rB:s1;s2;s2;d4;s4;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;s15s19;s10;s21;d22;s23;d24;s22s25;s6;s27;s27s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25N3O4S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:9.91124
Area:613.53
Solvation:-5.42702
Coulombic:-58.7033
Bond Count [?]
All:32
Single:25
Double:7
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:415.507
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:1.73
LogP (Chemaxon):1.9

Name Annotations

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Descriptor Annotations

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