Chemical ID: 6025112

Cc1ccsc1CN(Cc2ccccc2)C(=O)CN(C(C)C)C(=O)C(C)(C)C
Chemical ID:
6025112
Name [?]:
N-[[benzyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-isopropyl-2,2-dimethyl-propanamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccccc2)C(=O)CN(C(C)C)C(=O)C(C)(C)C
InChi [?]:
InChI=1/C23H32N2O2S/c1-17(2)25(22(27)23(4,5)6)16-21(26)24(14-19-10-8-7-9-11-19)15-20-18(3)12-13-28-20/h7-13,17H,14-16H2,1-6H3
InChi Info:
AuxInfo=1/0/N:21,22,1,26,27,28,13,12,14,11,15,3,4,9,7,18,20,2,10,6,16,23,25,8,19,17,24,5/E:(1,2)(4,5,6)(8,9)(10,11)/rA:28nCCCCSCCNCCCCCCCCOCNCCCCOCCCC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;s20;s19;d23;s23;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H32N2O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.1483
Area:576.045
Solvation:-3.2528
Coulombic:-35.4119
Bond Count [?]
All:29
Single:22
Double:7
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:400.578
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.42
LogP (Chemaxon):4.68

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Descriptor Annotations

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