Chemical ID: 6022979

CC(C)(C)CC(=O)N(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc3cccs3)C4CC4
Chemical ID:
6022979
Name [?]:
N-[(benzo[1,3]dioxol-5-ylmethyl-(2-thienylmethyl)carbamoyl)methyl]-N-cyclopropyl-3,3-dimethyl-butanamide
SMILES [?]:
CC(C)(C)CC(=O)N(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc3cccs3)C4CC4
InChi [?]:
InChI=1/C24H30N2O4S/c1-24(2,3)12-22(27)26(18-7-8-18)15-23(28)25(14-19-5-4-10-31-19)13-17-6-9-20-21(11-17)30-16-29-20/h4-6,9-11,18H,7-8,12-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,26,25,15,30,31,16,27,19,5,13,23,9,21,14,29,24,17,18,6,10,2,12,8,7,11,22,20,28/E:(1,2,3)(7,8)/rA:31nCCCCCCONCCONCCCCCCCOCOCCCCCSCCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s18;s20;s17s21;s12;s23;d24;s25;d26;s24s27;s8;s29;s29s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H30N2O4S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.2481
Area:648.272
Solvation:-4.95865
Coulombic:-50.1682
Bond Count [?]
All:34
Single:27
Double:7
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:442.572
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.88
LogP (Chemaxon):3.47

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Descriptor Annotations

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