Methyl 1-methyl-4-(1-methyl-4-nitropyrrole-2-carboxamido)pyrrole-2-carboxylate

HCID 592893

기본 정보

표준 SMILES
COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])cn2C)cn1C
InChIKey
CXOUMWIFPBNLCI-UHFFFAOYSA-N
분자식
C13H14N4O5
평균 분자량
306.27 g/mol
단동위원소 질량
306.09641956

이름 및 식별자

우선 이름
Methyl 1-methyl-4-(1-methyl-4-nitropyrrole-2-carboxamido)pyrrole-2-carboxylate
IUPAC
methyl 1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carboxylate

이름 및 동의어

69910-20-9CHEMBL276453SCHEMBL2393205Methyl 1-methyl-4-(1-methyl-4-nitropyrrole-2-carboxamido)pyrrole-2-carboxylateDA-41656Methyl(1-methyl-4-(1-methyl-4-nitro-2-pyrrolamido)-2-pyrrolecarboxylate)Methyl 1-methyl-4-(1-methyl-4-nitro-1H-pyrrole-2-carboxamido)-1H-pyrrole-2-carboxylateMethyl 1-methyl-4-([(1-methyl-4-nitro-1H-pyrrol-2-yl)carbonyl]amino)-1H-pyrrole-2-carboxylate #

데이터베이스 식별자

PubChem CID
592893
ChEMBL
CHEMBL276453
Nikkaji
J1.361.855K

물성

구조 계산 물성

XLogP
0.6
극성 표면적
111 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
4
무거운 원자 수
22

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20건

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