N-[4-(4-cyanoanilino)-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]acetamide

HCID 486444

기본 정보

표준 SMILES
CC(=O)Nc1nc(Cc2c(Cl)cccc2Cl)nc(Nc2ccc(C#N)cc2)n1
InChIKey
BFQKBYHHLDVGBJ-UHFFFAOYSA-N
분자식
C19H14Cl2N6O
평균 분자량
413.3 g/mol

이름 및 식별자

우선 이름
N-[4-(4-cyanoanilino)-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]acetamide
IUPAC
N-[4-(4-cyanoanilino)-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]acetamide

이름 및 동의어

N-(4-[(4-cyanophenyl)amino]-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]-acetamideN-[4-[(4-cyanophenyl)amino]-6-[(2,6-dichlorophenyl)methyl)-1,3,5-triazin-2-yl]-acetamideN-[4-[(4-cyanophenyl)amino]-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]-acetamideCHEMBL70613SCHEMBL5005548BFQKBYHHLDVGBJ-UHFFFAOYSA-NN-[4-(4-cyanoanilino)-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]acetamideN-[4-[(4-cyanophenyl)amino]-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]acetamideN-{3-[(2,6-Dichlorophenyl)methyl]-5-[(4-cyanophenyl)amino]1,3,5-triazin-2-yl}acetamide

데이터베이스 식별자

PubChem CID
486444
ChEMBL
CHEMBL70613
Nikkaji
J1.588.606D

물성

구조 계산 물성

XLogP
4.3
극성 표면적
104 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
6
회전 가능 결합 수
5
무거운 원자 수
28

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5건

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