Chemical ID: 4139315

CC(C)NC(=O)NC1CC(N(C1)C(=O)c2cccn2C)C(=O)NC(Cc3ccc(cc3)OC)C(=O)N
Chemical ID:
4139315
Name [?]:
N-[1-carbamoyl-2-(4-methoxyphenyl)-ethyl]-4-(isopropylcarbamoylamino)-1-(1-methylpyrrol-2-yl)carbonyl-pyrrolidine-2-carboxamide
SMILES [?]:
CC(C)NC(=O)NC1CC(N(C1)C(=O)c2cccn2C)C(=O)NC(Cc3ccc(cc3)OC)C(=O)N
InChi [?]:
InChI=1/C25H34N6O5/c1-15(2)27-25(35)28-17-13-21(31(14-17)24(34)20-6-5-11-30(20)3)23(33)29-19(22(26)32)12-16-7-9-18(36-4)10-8-16/h5-11,15,17,19,21H,12-14H2,1-4H3,(H2,26,32)(H,29,33)(H2,27,28,35)
InChi Info:
AuxInfo=1/1/N:1,3,20,33,17,16,27,31,28,30,18,25,9,12,2,26,8,29,24,15,10,34,21,13,5,36,4,7,23,19,11,35,22,14,6,32/E:(1,2)(7,8)(9,10)/rA:36cCCCNCONCCCNCCOCCCCNCCONCCCCCCCCOCCON/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s10;s8s11;s11;d13;s13;d15;s16;d17;s15s18;s19;s10;d21;s21;s23;s24;s25;s26;d27;s28;d29;d26s30;s29;s32;s24;d34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H34N6O5
All Atoms:36
Heavy Atoms:36
Chiral Atoms:3
ZAP Information [?]
Total:10.3329
Area:751.119
Solvation:-8.44502
Coulombic:-109.435
Bond Count [?]
All:38
Single:29
Double:9
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:498.575
H-Bond Donors:5
H-Bond Acceptors:10
XLogP:0.71
LogP (Chemaxon):-0.31

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue